CFam Chemical Families Database
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You are searching for "CFAMM00421142" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00421142
Family CFFBM13229 Histamine H3 receptor and Sodium-dependent serotonin transporter ligand AGN-PC-00R9BM family
Superfamily CFSBM4588 Histamine H3 receptor and Sodium-dependent serotonin transporter Binder Superfamily 3
Class CFCAD280 Class 280
External ID CHEMBL392892 External Source CHEMBL
PubChem CID 44438918 Functional Category Bioactive
Molecule Name AGN-PC-00R7WI
IUPAC Name 6-(4-nitrophenyl)-9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
Synonyms SureCN2808213;CHEBI:508868;(6S,10bR)-6-(4-nitrophenyl)-9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
InChi InChI=1S/C26H33N3O3/c30-29(31)21-9-7-20(8-10-21)25-19-28-16-4-6-26(28)24-18-22(11-12-23(24)25)32-17-5-15-27-13-2-1-3-14-27/h7-12,18,25-26H,1-6,13-17,19H2
InChiKey IEAJIOYCAZAKHN-UHFFFAOYSA-N
Formula C26H33N3O3 Molecular Weight 435.56
Cross Link CHEMBL392892
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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